3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione

C18H15N3O2 — CID 19057923

IUPAC3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-11-16(18(23)21(17)14-4-2-1-3-5-14)20-13-7-6-12-8-9-19-15(12)10-13/h1-10,16,19-20H,11H2
InChIKeyZQWIRLWROICUIX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.91
Rot. Bonds3

About 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione

3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 19057923) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
PubChem CID19057923
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-11-16(18(23)21(17)14-4-2-1-3-5-14)20-13-7-6-12-8-9-19-15(12)10-13/h1-10,16,19-20H,11H2
InChIKeyZQWIRLWROICUIX-UHFFFAOYSA-N
XLogP2.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560441
3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 2872674
(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 695428
(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 99129593
(3R)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560438
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662
1-(1H-indol-6-yl)-3-(prop-2-enylamino)pyrrolidine-2,5-dione
CID 19058066
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761
3-[(1-benzylpiperidin-4-yl)amino]-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
CID 19058082

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione (CID 19057923) is 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione is O=C1CC(Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is ZQWIRLWROICUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-11-16(18(23)21(17)14-4-2-1-3-5-14)20-13-7-6-12-8-9-19-15(12)10-13/h1-10,16,19-20H,11H2.
What are the key properties of 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione?
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 305.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 19057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).